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Information card for entry 7018802
Preview
| Coordinates | 7018802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H96 N12 Ni2 O24 Ru4 |
|---|---|
| Calculated formula | C68 H96 N12 Ni2 O24 Ru4 |
| SMILES | c12ccccc1[N]1=Cc3ccccc3[O]3[Ru]451(=[N]=[Ru]16([N](c7c(O1)cccc7)=Cc1ccccc1O6)([OH]C)[N]#N=N[Ni]163([O]5(C)[Ni]35([O]4C)(N=N#[N][Ru]47(=[N]=[Ru]89([N](c%10c(cccc%10)O9)=Cc9ccccc9[O]38)([O]15C)[O]6C)([N](c1c(O4)cccc1)=Cc1ccccc1O7)[OH]C)[OH]C)[OH]C)O2.OC.CO.CO.CO.OC.CO.CO.CO |
| Title of publication | A novel triazidoruthenium(iii) building block for the construction of polynuclear compounds |
| Authors of publication | Xiang, Jing; Jia, Li-Hui; Man, Wai-Lun; Qian, Kang; Lee, Gene-Hsiang; Peng, Shie-Ming; Yiu, Shek-Man; Gao, Song; Lau, Tai-Chu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 19 |
| Pages of publication | 5794 |
| a | 11.4249 ± 0.0006 Å |
| b | 11.8191 ± 0.0005 Å |
| c | 17.1649 ± 0.0007 Å |
| α | 108.293 ± 0.003° |
| β | 91.44 ± 0.003° |
| γ | 111.629 ± 0.003° |
| Cell volume | 2019.52 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0978 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1468 |
| Weighted residual factors for all reflections included in the refinement | 0.1671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179892 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/88. |
7018802.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018802.cif |
| 55962 | 2012-05-08 | cif/ Adding structures of 7018800, 7018801, 7018802 via cif-deposit CGI script. |
7018802.cif |
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